S395-0927 Screening compound: 8-(5-chloro-2-fluorobenzoyl)-3-[(4-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

S395-0927 Screening compound: 8-(5-chloro-2-fluorobenzoyl)-3-[(4-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
S395-0927 Screening compound: 8-(5-chloro-2-fluorobenzoyl)-3-[(4-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S395-0927
8-(5-chloro-2-fluorobenzoyl)-3-[(4-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S395-0927

Molecular Formula

C21H18ClF2N3O3 (C21 H18 ClF2 N3 O3)

Compound Name

8-(5-chloro-2-fluorobenzoyl)-3-[(4-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

IUPAC name

8-(5-chloro-2-fluorobenzoyl)-3-[(4-fluorophenyl)methyl]-138-triazaspiro[4.5]decane-24-dione

SMILES

O=C(c(cc(cc1)Cl)c1F)N(CC1)CCC1(C(N1Cc(cc2)ccc2F)=O)NC1=O

InChI

InChI=1S/C21H18ClF2N3O3/c22-14-3-6-17(24)16(11-14)18(28)26-9-7-21(8-10-26)19(29)27(20(30)25-21)12-13-1-4-15(23)5-2-13/h1-6,11H,7-10,12H2,(H,25,30)

InChI Key

BBHGQTBEMFFJIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28122205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.77

Polar Surface Area

58.293

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

S395-0927 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bromodomain Modulators Library (5801 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Eye
  • Cancer
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S395-0927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S395-0927?
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What is the minimum amount of S395-0927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S395-0927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S395-0927
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S395-0927 available by request